4,4,7-trimethyl-6-[4-(phenylsulfinyl)butoxy]-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4,7-trimethyl-6-[4-(phenylsulfinyl)butoxy]-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(benzenesulfinyl)butoxy]-4,4,7-trimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-(benzenesulfinyl)butoxy]-4,4,7-trimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(benzenesulfinyl)butoxy]-4,4,7-trimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-(benzenesulfinyl)butoxy]-4,4,7-trimethyl-1H-3,1-benzoxazin-2-one Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=O)OC2(C)C)OCCCCS(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=O)OC2(C)C)OCCCCS(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-15-13-18-17(21(2,3)26-20(23)22-18)14-19(15)25-11-7-8-12-27(24)16-9-5-4-6-10-16/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,22,23)